Crystallography Open Database

Information card for entry 7132462

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Coordinates	7132462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 F3 O3
Calculated formula	C9 H15 F3 O3
Title of publication	Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.
Authors of publication	Haridas, Shyamkumar V.; von Delius, Max
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	5
Pages of publication	606 - 609
a	11.4469 ± 0.0004 Å
b	11.4469 ± 0.0004 Å
c	4.7028 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	533.66 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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